两嵌段共聚高分子在固液界面吸附的Monte Carlo模拟(Ⅱ)──界面浓度分布和吸附量

Monte Carlo Simulations of Adsorption of Diblock Copolymers on Solid-liquid Interface (Ⅱ )──The Segment Concentration Profile and Adsorption Amount

用MonteCarlo方法对两嵌段共聚高分子在固液界面的吸附进行模拟，获得了固液界面区总链节密度和吸附链节浓度分布、链附着率、表面覆盖率和吸附量等信息，考察了吸附性链节的对比吸附能和两嵌段共聚高分子中吸附性链节比例f对它们的影响．结果表明，较大时，吸附量先随f的增加而上升，在f=0．4左右达到最大值后逐渐下降．

Monte Carlo simulation method was used to simulate the adsorption of diblock copolymers on solid-liquid interface. The adsorption information, such as total segment density and segment concentration profiles, bound fraction, surface coverage and adsorption amount, are obtained. The effect of attractive segment content f and its adsorption energy was inspected. It is shown that the adsorption amount increases with increasing f when adsorption energy is relatively small. However, if adsorption energy have a larger value, the adsorption amount increases with increasing f at first and reaches a maximum about f=0. 5,then decreases with increasing f.This trend coincides well with the experimental results of Tiberg et al.